3-[2-(4-chloro-1-methylpyrazol-5-yl)-2-[(4-fluorophenyl)methoxy]ethyl]pyridine

C18H17ClFN3O — CID 170699040

IUPAC3-[2-(4-chloro-1-methylpyrazol-5-yl)-2-[(4-fluorophenyl)methoxy]ethyl]pyridine
SMILESCn1ncc(Cl)c1C(Cc1cccnc1)OCc1ccc(F)cc1
InChIInChI=1S/C18H17ClFN3O/c1-23-18(16(19)11-22-23)17(9-14-3-2-8-21-10-14)24-12-13-4-6-15(20)7-5-13/h2-8,10-11,17H,9,12H2,1H3
InChIKeyGAGLIROZERXJNU-UHFFFAOYSA-N
MW345.81 g/mol
LogP4.11
Rot. Bonds6

About 3-[2-(4-chloro-1-methylpyrazol-5-yl)-2-[(4-fluorophenyl)methoxy]ethyl]pyridine

3-[2-(4-chloro-1-methylpyrazol-5-yl)-2-[(4-fluorophenyl)methoxy]ethyl]pyridine (PubChem CID 170699040) has the molecular formula C18H17ClFN3O and a molecular weight of 345.81 g/mol. Its IUPAC name is 3-[2-(4-chloro-1-methylpyrazol-5-yl)-2-[(4-fluorophenyl)methoxy]ethyl]pyridine.

Molecular Properties

Compound Name3-[2-(4-chloro-1-methylpyrazol-5-yl)-2-[(4-fluorophenyl)methoxy]ethyl]pyridine
PubChem CID170699040
Molecular FormulaC18H17ClFN3O
Molecular Weight345.81 g/mol
Exact Mass345.10
IUPAC Name3-[2-(4-chloro-1-methylpyrazol-5-yl)-2-[(4-fluorophenyl)methoxy]ethyl]pyridine
SMILESCn1ncc(Cl)c1C(Cc1cccnc1)OCc1ccc(F)cc1
InChIInChI=1S/C18H17ClFN3O/c1-23-18(16(19)11-22-23)17(9-14-3-2-8-21-10-14)24-12-13-4-6-15(20)7-5-13/h2-8,10-11,17H,9,12H2,1H3
InChIKeyGAGLIROZERXJNU-UHFFFAOYSA-N
XLogP4.11
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[2-(4-chloro-1-methylpyrazol-5-yl)-2-[(4-fluorophenyl)methoxy]ethyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chloro-1-methylpyrazol-5-yl)-2-[(4-fluorophenyl)methoxy]ethyl]pyridine?
The IUPAC name of 3-[2-(4-chloro-1-methylpyrazol-5-yl)-2-[(4-fluorophenyl)methoxy]ethyl]pyridine (CID 170699040) is 3-[2-(4-chloro-1-methylpyrazol-5-yl)-2-[(4-fluorophenyl)methoxy]ethyl]pyridine.
What is the SMILES notation for 3-[2-(4-chloro-1-methylpyrazol-5-yl)-2-[(4-fluorophenyl)methoxy]ethyl]pyridine?
The canonical SMILES for 3-[2-(4-chloro-1-methylpyrazol-5-yl)-2-[(4-fluorophenyl)methoxy]ethyl]pyridine is Cn1ncc(Cl)c1C(Cc1cccnc1)OCc1ccc(F)cc1.
What is the InChIKey of 3-[2-(4-chloro-1-methylpyrazol-5-yl)-2-[(4-fluorophenyl)methoxy]ethyl]pyridine?
The InChIKey is GAGLIROZERXJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O/c1-23-18(16(19)11-22-23)17(9-14-3-2-8-21-10-14)24-12-13-4-6-15(20)7-5-13/h2-8,10-11,17H,9,12H2,1H3.
What are the key properties of 3-[2-(4-chloro-1-methylpyrazol-5-yl)-2-[(4-fluorophenyl)methoxy]ethyl]pyridine?
3-[2-(4-chloro-1-methylpyrazol-5-yl)-2-[(4-fluorophenyl)methoxy]ethyl]pyridine has a molecular weight of 345.81 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chloro-1-methylpyrazol-5-yl)-2-[(4-fluorophenyl)methoxy]ethyl]pyridine is sourced from PubChem (CID 170699040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).